2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide

C26H18N4O4 — CID 164618552

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NN=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C26H18N4O4/c31-22(28-29-23-24(32)17-10-4-5-11-18(17)25(23)33)15-30-21-13-7-6-12-19(21)27-20(26(30)34)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,28,31)
InChIKeyGDQMFYOPCHCMNK-UHFFFAOYSA-N
MW450.45 g/mol
LogP1.37
Rot. Bonds5

About 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide

2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide (PubChem CID 164618552) has the molecular formula C26H18N4O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide
PubChem CID164618552
Molecular FormulaC26H18N4O4
Molecular Weight450.45 g/mol
Exact Mass450.13
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide
SMILESO=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NN=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C26H18N4O4/c31-22(28-29-23-24(32)17-10-4-5-11-18(17)25(23)33)15-30-21-13-7-6-12-19(21)27-20(26(30)34)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,28,31)
InChIKeyGDQMFYOPCHCMNK-UHFFFAOYSA-N
XLogP1.37
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-aminoanilino)-6-oxohexyl]-2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 153525072
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CID 118731259
N-[(E)-benzylideneamino]-2-(3-benzyl-2-oxoquinoxalin-1-yl)acetamide
CID 118731266
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CID 38680304
2-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-phenylacetamide
CID 19580220
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CID 39890696
N'-[2-(3-methyl-2-oxo-quinoxalin-1-yl)acetyl]benzohydrazide
CID 46212861
N-(2-aminophenyl)-4-[[3-[2-[(dimethylamino)methyl]phenyl]-6-oxopyridazin-1-yl]methyl]benzamide
CID 172464910
2-(4-hydroxyphthalazin-1-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 16417043
2,4-Dioxo-3-(3-oxo-3,4-dihydroquinoxalin-2-yl)-4-phenylbutanoic acid n2-benzoylhydrazide
CID 129869693
2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl) diazen-1-yl]-3-hydroxy-1,4-dihydronaphthalene-1,4-dione
CID 170984171

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide (CID 164618552) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide is O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NN=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide?
The InChIKey is GDQMFYOPCHCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4/c31-22(28-29-23-24(32)17-10-4-5-11-18(17)25(23)33)15-30-21-13-7-6-12-19(21)27-20(26(30)34)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,28,31).
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide has a molecular weight of 450.45 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoquinoxalin-1-yl)-N-[(1,3-dioxoinden-2-ylidene)amino]acetamide is sourced from PubChem (CID 164618552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).